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Heatwaves are an important problem in cities, and climate change makes this problem more difficult. In this paper, we present a GPU-based deep learning framework for next-day prediction of urban thermal conditions and for heat risk…

Machine Learning · Computer Science 2026-05-19 Adis Alihodžić

This study presents the development of a domain-responsive edge-aware multiscale Graph Neural Network for predicting steady, turbulent flow and thermal behavior in a two-dimensional channel containing arbitrarily shaped complex pin-fin…

Fluid Dynamics · Physics 2025-09-08 Riddhiman Raut , Evan M. Mihalko , Amrita Basak

Deep Learning has recently emerged as a perfect prognosis downscaling technique to compute high-resolution fields from large-scale coarse atmospheric data. Despite their promising results to reproduce the observed local variability, they…

Machine Learning · Computer Science 2023-05-03 Jose González-Abad , Jorge Baño-Medina , Ignacio Heredia Cachá

This paper presents a method to simulate the thermal behavior of 3D systems using a graph neural network. The method discussed achieves a significant speed-up with respect to a traditional finite-element simulation. The graph neural network…

Computational Engineering, Finance, and Science · Computer Science 2022-09-29 Helios Sanchis-Alepuz , Monika Stipsitz

Deep learning in molecular and materials sciences is limited by the lack of integration between applied science, artificial intelligence, and high-performance computing. Bottlenecks with respect to the amount of training data, the size and…

Machine Learning · Computer Science 2021-12-08 Nathan C. Frey , Siddharth Samsi , Joseph McDonald , Lin Li , Connor W. Coley , Vijay Gadepally

Parameter retrieval and model inversion are key problems in remote sensing and Earth observation. Currently, different approximations exist: a direct, yet costly, inversion of radiative transfer models (RTMs); the statistical inversion with…

Signal Processing · Electrical Eng. & Systems 2021-04-22 Daniel Heestermans Svendsen , Pablo Morales-Alvarez , Ana Belen Ruescas , Rafael Molina , Gustau Camps-Valls

Designing metamaterials for extreme mechanical behavior involves the optimal selection of design parameters. However, identifying these optimal parameters through topology optimization (TO) across a large parametric space requires extensive…

Computational Physics · Physics 2025-11-10 Ajendra Singh , Shubham Saurabh , Abhinav Gupta , Rajib Chowdhury

Capturing the dynamics of active particles, i.e., small self-propelled agents that both deform and are deformed by a fluid in which they move is a formidable problem as it requires coupling fine scale hydrodynamics with large scale…

Soft Condensed Matter · Physics 2025-09-09 Sadra Saremi , Amirhossein Ahmadkhan Kordbacheh

Functionally Graded Materials (FGMs) made of soft constituents have emerged as promising material-structure systems in potential applications across many engineering disciplines, such as soft robots, actuators, energy harvesting, and tissue…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Shiguang Deng , Horacio D. Espinosa , Wei Chen

This study investigated the potential of end-to-end deep learning tools as a more effective substitute for FEM in predicting stress-strain fields within 2D cross sections of arterial wall. We first proposed a U-Net based fully convolutional…

Machine Learning · Computer Science 2023-08-04 Yasin Shokrollahi1 , Pengfei Dong1 , Xianqi Li , Linxia Gu

The integration of machine learning and robotics into thin film deposition is transforming material discovery and optimization. However, challenges remain in achieving a fully autonomous cycle of deposition, characterization, and…

Materials Science · Physics 2026-02-24 Yuanlong Zheng , Connor Blake , Layla Mravac , Fengxue Zhang , Yuxin Chen , Shuolong Yang

Many complex engineering systems can be represented in a topological form, such as graphs. This paper utilizes a machine learning technique called Geometric Deep Learning (GDL) to aid designers with challenging, graph-centric design…

Computational Engineering, Finance, and Science · Computer Science 2023-08-07 Anthony Sirico , Daniel R. Herber

Climate control of buildings makes up a significant portion of global energy consumption, with groundwater heat pumps providing a suitable alternative. To prevent possibly negative interactions between heat pumps throughout a city, city…

Machine Learning · Computer Science 2022-03-30 Raphael Leiteritz , Kyle Davis , Miriam Schulte , Dirk Pflüger

Epoxy polymers are widely used due to their multifunctional properties, but machine learning (ML) applications remain limited owing to their complex 3D molecular structure, multi-component nature, and lack of curated datasets. Existing ML…

Soft Condensed Matter · Physics 2026-03-19 Sindu B. S. , Jan Hamaekers

Mechanical product engineering often must comply with manufacturing or geometric constraints related to the shaping process. Mechanical design hence should rely on robust and fast tools to explore complex shapes, typically for design for…

Computational Engineering, Finance, and Science · Computer Science 2020-10-23 Waad Almasri , Dimitri Bettebghor , Fakhreddine Ababsa , Florence Danglade

Multi-modal scene reconstruction integrating RGB and thermal infrared data is essential for robust environmental perception across diverse lighting and weather conditions. However, extending 3D Gaussian Splatting (3DGS) to multi-spectral…

Computer Vision and Pattern Recognition · Computer Science 2026-02-10 Zhaoqi Su , Shihai Chen , Xinyan Lin , Liqin Huang , Zhipeng Su , Xiaoqiang Lu

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Machine Learning · Computer Science 2023-09-25 Yuecheng Cai , Jasmin Jelovica

Accurate long-horizon prediction of spatiotemporal fields on complex geometries is a fundamental challenge in scientific machine learning, with applications such as additive manufacturing where temperature histories govern defect formation…

Machine Learning · Computer Science 2026-02-23 Lionel Salesses , Larbi Arbaoui , Tariq Benamara , Arnaud Francois , Caroline Sainvitu

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Machine Learning · Computer Science 2022-11-28 Hatem Helal , Jesun Firoz , Jenna Bilbrey , Mario Michael Krell , Tom Murray , Ang Li , Sotiris Xantheas , Sutanay Choudhury

Key to being able to accurately model the properties of realistic materials is being able to predict their properties in the thermodynamic limit. Nevertheless, because most many-body electronic structure methods scale as a high-order…

Chemical Physics · Physics 2024-04-04 Edgar Josué Landinez Borda , Kenneth O. Berard , Annette Lopez , Brenda Rubenstein